SCHEMBL4980523

SCHEMBL4980523

C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC[C@@]12OC(=O)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1L1 Q9UHC9 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMO Q99835 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3838096 0.81 MEN1 (0.51) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8182388 0.77 HSD11B1 (0.47) LMNAHSD11B1TSHR
SCHEMBL12511832 0.77 HSD11B1 (0.47) LMNAHSD11B1TSHR
SCHEMBL2212218 0.77 HSD11B1 (0.47) LMNAHSD11B1TSHR
SCHEMBL3836835 0.70 AVPR1A (0.50) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL15317721 0.70 MEN1 (0.57) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL6873588 0.68 SIGMAR1 (0.60) —
SCHEMBL18216835 0.68 CRHBP (0.71) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL3840728 0.68 AVPR1A (0.54) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL15470654 0.67 MEN1 (0.60) MEN1KMT2ASMN1; SMN2HTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 — — US claimed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US claimed
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 — — EP disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 — — US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 — — US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 — — US disclosed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — WO disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 — — US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 — — US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MEN1 2572/4885KMT2A 1250/4885SMN1; SMN2 3438/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MEN1 2572/4885KMT2A 1250/4885SMN1; SMN2 3438/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MEN1 2572/4885KMT2A 1250/4885SMN1; SMN2 3438/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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